SCHEMBL1372273

SCHEMBL1372273

c1ccc(Cn2nccc2NC2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PDE4B Q07343 1/20 0.36
ADORA2A P29274 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GLA P06280 1/20 0.35
P2RX7 Q99572 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1371602 0.83 PDE4B (0.48) BRD4PDE4BP2RX7HRH3MAPK1
SCHEMBL612330 0.71 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL803482 0.70 OPRM1 (0.56) TMEM97MEN1KMT2ARAB9A
SCHEMBL23239738 0.70 C5AR1 (0.35) TSHRBRD4ALDH1A1PDE4BKDM4E
SCHEMBL19467524 0.69 OPRM1 (0.41) ALDH1A1SIGMAR1MEN1KMT2ASMN1; SMN2
SCHEMBL18658159 0.68 DRD4 (0.67) ALDH1A1SIGMAR1KMT2APOLB
SCHEMBL1373679 0.68 PKM (0.34) ALDH1A1KMT2ALMNAMAPK1POLB
SCHEMBL1370952 0.66 PDE4B (0.44) BRD4ALDH1A1PDE4BP2RX7MAPK1
SCHEMBL10120597 0.66 SIGMAR1 (0.56) TSHRALDH1A1TMEM97SIGMAR1MEN1
SCHEMBL25061726 0.65 C5AR1 (0.35) TSHRPDE4BKDM4EMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115136-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 US disclosed
US-8921379-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-13 US disclosed
US-8592431-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2384327-B1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
US-8283353-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-09 US disclosed
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-12-01 US disclosed
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-11-24 US disclosed
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-08-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 TSHR 542/4885BRD4 111/4885ALDH1A1 1050/4885
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 TSHR 542/4885BRD4 111/4885ALDH1A1 1050/4885
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 TSHR 542/4885BRD4 111/4885ALDH1A1 1050/4885
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 TSHR 542/4885BRD4 111/4885ALDH1A1 1050/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.